(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione

C21H15FN2O2S — CID 44804416

IUPAC(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
SMILESCc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccccc3F)c(=O)n12
InChIInChI=1S/C21H15FN2O2S/c1-13-16(11-14-7-3-2-4-8-14)19(25)23-21-24(13)20(26)18(27-21)12-15-9-5-6-10-17(15)22/h2-10,12H,11H2,1H3/b18-12-
InChIKeyOPZYMFRESMSETL-PDGQHHTCSA-N
MW378.43 g/mol
LogP2.70
Rot. Bonds3

About (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione

(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione (PubChem CID 44804416) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione.

Molecular Properties

Compound Name(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
PubChem CID44804416
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
SMILESCc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccccc3F)c(=O)n12
InChIInChI=1S/C21H15FN2O2S/c1-13-16(11-14-7-3-2-4-8-14)19(25)23-21-24(13)20(26)18(27-21)12-15-9-5-6-10-17(15)22/h2-10,12H,11H2,1H3/b18-12-
InChIKeyOPZYMFRESMSETL-PDGQHHTCSA-N
XLogP2.70
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z)-6-benzyl-5-methyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
CID 44804404
6-benzyl-5-methyl-2-[(4-phenylmethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
CID 71952693
6-benzyl-2-[(2-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1417462
6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 937809
(5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256355
5-[(2-fluorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3547902
6-benzyl-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3838511
(5Z)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 938463
2-[(2-ethoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4987603
(2Z)-6-benzyl-2-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1184345
6-benzyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1184343
(2Z)-6-benzyl-2-[(5-bromo-2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 6511581

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione?
The IUPAC name of (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione (CID 44804416) is (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione.
What is the SMILES notation for (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione?
The canonical SMILES for (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione is Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccccc3F)c(=O)n12.
What is the InChIKey of (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione?
The InChIKey is OPZYMFRESMSETL-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c1-13-16(11-14-7-3-2-4-8-14)19(25)23-21-24(13)20(26)18(27-21)12-15-9-5-6-10-17(15)22/h2-10,12H,11H2,1H3/b18-12-.
What are the key properties of (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione?
(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione has a molecular weight of 378.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione is sourced from PubChem (CID 44804416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).